1-[(4-fluorophenyl)carbamothioylamino]-1-methyl-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(4-fluorophenyl)carbamothioylamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(4-fluorophenyl)carbamothioylamino]-1-methyl-thiourea CAS Name: 1-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(4-fluorophenyl)carbamothioylamino]-1-methylthiourea Traditional Name: 3-benzyl-1-[(4-fluorophenyl)thiocarbamoylamino]-1-methyl-thiourea Formula: C16H17FN4S2 MolecularWeight: 348.461383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C16H17FN4S2/c1-21(16(23)18-11-12-5-3-2-4-6-12)20-15(22)19-14-9-7-13(17)8-10-14/h2-10H,11H2,1H3,(H,18,23)(H2,19,20,22)